3-(2-methoxyphenoxy)-N-[phenyl(pyridin-2-yl)methyl]propanamide

C22H22N2O3 — CID 78778808

IUPAC3-(2-methoxyphenoxy)-N-[phenyl(pyridin-2-yl)methyl]propanamide
SMILESCOc1ccccc1OCCC(=O)NC(c1ccccc1)c1ccccn1
InChIInChI=1S/C22H22N2O3/c1-26-19-12-5-6-13-20(19)27-16-14-21(25)24-22(17-9-3-2-4-10-17)18-11-7-8-15-23-18/h2-13,15,22H,14,16H2,1H3,(H,24,25)
InChIKeyHXISQIITURLALH-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.76
Rot. Bonds8

About 3-(2-methoxyphenoxy)-N-[phenyl(pyridin-2-yl)methyl]propanamide

3-(2-methoxyphenoxy)-N-[phenyl(pyridin-2-yl)methyl]propanamide (PubChem CID 78778808) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is 3-(2-methoxyphenoxy)-N-[phenyl(pyridin-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(2-methoxyphenoxy)-N-[phenyl(pyridin-2-yl)methyl]propanamide
PubChem CID78778808
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name3-(2-methoxyphenoxy)-N-[phenyl(pyridin-2-yl)methyl]propanamide
SMILESCOc1ccccc1OCCC(=O)NC(c1ccccc1)c1ccccn1
InChIInChI=1S/C22H22N2O3/c1-26-19-12-5-6-13-20(19)27-16-14-21(25)24-22(17-9-3-2-4-10-17)18-11-7-8-15-23-18/h2-13,15,22H,14,16H2,1H3,(H,24,25)
InChIKeyHXISQIITURLALH-UHFFFAOYSA-N
XLogP3.76
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,5-dimethylphenoxy)-N-[phenyl(pyridin-2-yl)methyl]propanamide
CID 134048419
3-methylsulfanyl-N-[phenyl(pyridin-2-yl)methyl]propanamide
CID 43008393
2-(4-methoxyphenyl)-N-[phenyl(pyridin-2-yl)methyl]acetamide
CID 42907688
1-[(2-methoxyphenyl)methyl]-3-[phenyl(pyridin-2-yl)methyl]urea
CID 46596546
3-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]butanamide
CID 36947465
1-[2-(2-methoxyphenyl)ethyl]-3-[(S)-phenyl(pyridin-2-yl)methyl]urea
CID 36512185
3-(furan-2-yl)-N-[phenyl(pyridin-2-yl)methyl]propanamide
CID 43008392
(2R)-2-[3-(2-methoxyphenoxy)propanoylamino]-3-methylbutanoic acid
CID 92923984
(2R)-2-hydroxy-N-[(S)-(2-methoxyphenyl)-pyridin-2-ylmethyl]-2-phenylacetamide
CID 97248197
2,4-dimethoxy-N-[phenyl(pyridin-2-yl)methyl]benzamide
CID 44765343
4-(4-ethylphenyl)-4-oxo-N-[phenyl(pyridin-2-yl)methyl]butanamide
CID 51152072
2-methoxy-N-[phenyl(pyridin-2-yl)methyl]benzenesulfonamide
CID 51169894

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenoxy)-N-[phenyl(pyridin-2-yl)methyl]propanamide?
The IUPAC name of 3-(2-methoxyphenoxy)-N-[phenyl(pyridin-2-yl)methyl]propanamide (CID 78778808) is 3-(2-methoxyphenoxy)-N-[phenyl(pyridin-2-yl)methyl]propanamide.
What is the SMILES notation for 3-(2-methoxyphenoxy)-N-[phenyl(pyridin-2-yl)methyl]propanamide?
The canonical SMILES for 3-(2-methoxyphenoxy)-N-[phenyl(pyridin-2-yl)methyl]propanamide is COc1ccccc1OCCC(=O)NC(c1ccccc1)c1ccccn1.
What is the InChIKey of 3-(2-methoxyphenoxy)-N-[phenyl(pyridin-2-yl)methyl]propanamide?
The InChIKey is HXISQIITURLALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-26-19-12-5-6-13-20(19)27-16-14-21(25)24-22(17-9-3-2-4-10-17)18-11-7-8-15-23-18/h2-13,15,22H,14,16H2,1H3,(H,24,25).
What are the key properties of 3-(2-methoxyphenoxy)-N-[phenyl(pyridin-2-yl)methyl]propanamide?
3-(2-methoxyphenoxy)-N-[phenyl(pyridin-2-yl)methyl]propanamide has a molecular weight of 362.43 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenoxy)-N-[phenyl(pyridin-2-yl)methyl]propanamide is sourced from PubChem (CID 78778808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).